CID 12314974

Rishitinol

Structural Information

Molecular Formula

C₁₅H₂₂O₂

SMILES

CC1=C2CC(C(CC2=C(C=C1)C)O)C(C)(C)O

InChI

InChI=1S/C15H22O2/c1-9-5-6-10(2)12-8-14(16)13(7-11(9)12)15(3,4)17/h5-6,13-14,16-17H,7-8H2,1-4H3

InChIKey

CHZJSQCDRSPCMD-UHFFFAOYSA-N

Compound name

3-(2-hydroxypropan-2-yl)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 10
Patents: 234.16199 Da
Monoisotopic Mass: 3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	235.169266	154.9
[M+Na]+	257.151208	162.4
[M-H]-	233.154714	156.9
[M+NH4]+	252.195813	173.5
[M+K]+	273.125148	158.7
[M+H-H2O]+	217.159250	150.2
[M+HCOO]-	279.160191	170.2
[M+CH3COO]-	293.175841	191.6
[M+Na-2H]-	255.136656	158.4
[M]+	234.16144142	153.2
[M]-	234.16253858	153.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe